1,3-Dinitronaphthalene - CAS 606-37-1
Catalog: |
BB030758 |
Product Name: |
1,3-Dinitronaphthalene |
CAS: |
606-37-1 |
Synonyms: |
1,3-dinitronaphthalene |
IUPAC Name: | 1,3-dinitronaphthalene |
Description: | 1,3-Dinitronaphthalene (CAS# 606-37-1) is a useful research chemical. |
Molecular Weight: | 218.17 |
Molecular Formula: | C10H6N2O4 |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C10H6N2O4/c13-11(14)8-5-7-3-1-2-4-9(7)10(6-8)12(15)16/h1-6H |
InChI Key: | ULALSFRIGPMWRS-UHFFFAOYSA-N |
Boiling Point: | 377.211 °C at 760 mmHg |
Melting Point: | 146-148 °C (lit.) |
Purity: | 95 % |
Density: | 1.482 g/cm3 |
Appearance: | Beige powder. |
MDL: | MFCD00003915 |
LogP: | 3.70260 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
19232672 | 20090501 | Photocatalytic oxidation of dinitronaphthalenes: theory and experiment | Chemosphere |
21202359 | 20080418 | 2,4-Dinitro-1-naphthyl 4-toluene-sulfonate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.03275668 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 91.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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